336491

O-(4-Chlorobenzoyl)hydroquinine

98%

• 동의어(들): Dihydroquinine 4-chlorobenzoate, Hydroquinine 4-chlorobenzoate
• 실험식(Hill 표기법): C₂₇H₂₉ClN₂O₃
• CAS Number: 113216-88-9
• Molecular Weight: 464.98
• Beilstein: 4302318
• MDL number: MFCD00161486
• UNSPSC 코드: 12352005
• PubChem Substance ID: 24860386
• NACRES: NA.22

속성

• 분석: 98%
• 광학 활성: [α]26/D +150°, c = 1 in ethanol
• mp: 128-130 °C (lit.)
• 작용기: chloro; ester
• SMILES string: CC[C@H]1CN2CCC1CC2[C@H](OC(=O)c3ccc(Cl)cc3)c4ccnc5ccc(OC)cc45
• InChI: 1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25-,26+/m0/s1
• InChI key: TXVNNFDXQZFMBQ-MFQNCIFPSA-N

설명

법적 정보

Sold under license from Rhodia Pharma Solutions.

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)